Electronic Structure

Basic Theory and Practical Methods

Author: Richard M. Martin

Publisher: Cambridge University Press

ISBN: 9780521782852

Category: Science

Page: 624

View: 8350

Important graduate textbook in condensed matter physics by highly regarded physicist.
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Electronic Structure and the Properties of Solids

The Physics of the Chemical Bond

Author: Walter A. Harrison

Publisher: Courier Corporation

ISBN: 0486141780

Category: Science

Page: 582

View: 5035

This text offers basic understanding of the electronic structure of covalent and ionic solids, simple metals, transition metals and their compounds; also explains how to calculate dielectric, conducting, bonding properties.
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Electronic Structure of Materials

Author: Adrian P. Sutton

Publisher: Clarendon Press

ISBN: 0191588539

Category:

Page: 276

View: 1843

This book describes the modern real-space approach to electronic structures and properties of crystalline and non-crystalline materials in a form readily accessible to undergraduates in materials science, physics, and chemistry. - ;This book describes the modern real-space approach to electronic structures and properties of crystalline and non-crystalline materials in a form readily accessible to undergraduates in materials science, physics, and chemistry. -
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Relativistic Electronic Structure Theory - Fundamentals

Author: N.A

Publisher: Elsevier

ISBN: 9780080540467

Category: Science

Page: 946

View: 7212

The first volume of this two part series is concerned with the fundamental aspects of relativistic quantum theory, outlining the enormous progress made in the last twenty years in this field. The aim was to create a book such that researchers who become interested in this exciting new field find it useful as a textbook, and do not have to rely on a rather large number of specialized papers published in this area. · No title is currently available that deals with new developments in relativistic quantum electronic structure theory · Interesting and relevant to graduate students in chemistry and physics as well as to all researchers in the field of quantum chemistry · As treatment of heavy elements becomes more important, there will be a constant demand for this title
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Electronic Structure of Strongly Correlated Materials

Author: Vladimir Anisimov,Yuri Izyumov

Publisher: Springer Science & Business Media

ISBN: 9783642048265

Category: Technology & Engineering

Page: 291

View: 682

Electronic structure and physical properties of strongly correlated materials containing elements with partially filled 3d, 4d, 4f and 5f electronic shells is analyzed by Dynamical Mean-Field Theory (DMFT). DMFT is the most universal and effective tool used for the theoretical investigation of electronic states with strong correlation effects. In the present book the basics of the method are given and its application to various material classes is shown. The book is aimed at a broad readership: theoretical physicists and experimentalists studying strongly correlated systems. It also serves as a handbook for students and all those who want to be acquainted with fast developing filed of condensed matter physics.
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Electronic Structure of Alloys, Surfaces and Clusters

Author: Abhijit Mookerjee,D.D. Sarma

Publisher: CRC Press

ISBN: 9780415272490

Category: Technology & Engineering

Page: 384

View: 8941

Understanding the electronic structure of solids is a basic part of theoretical investigation in physics. Application of investigative techniques requires the solid under investigation to be "periodic." However, this is not always the case. This volume addresses three classes of "non-periodic" solids currently undergoing the most study: alloys, surfaces and clusters. Understanding the electronic structure of these systems is fundamental not only for the basic science, but also constitutes a very important step in various technological aspects, such as tuning their stabilities, chemical and catalytic reactivities and magnetism. Expert practitioners give an up-to-date account of the field with enough detailed background so that even a newcomer can follow the development. The theoretical framework is discussed in addition to the present status of knowledge in the field. Electronic Structure of Alloys, Surfaces and Clusters also includes an extensive bibliography which provides a comprehensive reading list of work on the topic.
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Elementary Electronic Structure

Author: Walter Ashley Harrison

Publisher: World Scientific

ISBN: 9789812387073

Category: Technology & Engineering

Page: 838

View: 8256

This is a revised edition of the 1999 text on the electronic structure and properties of solids, similar in spirit to the well-known 1980 text Electronic Structure and the Properties of Solids. The revisions include an added chapter on glasses, and rewritten sections on spin-orbit coupling, magnetic alloys, and actinides. The text covers covalent semiconductors, ionic insulators, simple metals, and transition-metal and f-shell-metal systems. It focuses on the most important aspects of each system, making what approximations are necessary in order to proceed analytically and obtain formulae for the properties. Such back-of-the-envelope formulae, which display the dependence of any property on the parameters of the system, are characteristic of Harrison's approach to electronic structure, as is his simple presentation and his provision of all the needed parameters.In spite of the diversity of systems and materials, the approach is systematic and coherent, combining the tight-binding (or atomic) picture with the pseudopotential (or free-electron) picture. This provides parameters ? the empty-core radii as well as the covalent energies ? and conceptual bases for estimating the various properties of all these systems. Extensive tables of parameters and properties are included.The book has been written as a text, with problems at the end of each chapter, and others can readily be generated by asking for estimates of different properties, or different materials, than those treated in the text. In fact, the ease of generating interesting problems reflects the extraordinary utility and simplicity of the methods introduced. Developments since the 1980 publication have made the theory simpler and much more accurate, besides allowing much wider application.
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Electronic Structure, Correlation Effects and Physical Properties of D- and F-metals and Their Compounds

Author: V. Yu Irkhin,Yu. P. Irkhin

Publisher: Cambridge Int Science Publishing

ISBN: 190460255X

Category: Science

Page: 451

View: 563

The book includes all main physical properties of d- and f-transition-metal systems and corresponding theoretical concepts. Special attention is paid to the theory of magnetism and transport phenomena. Some examples of non-traditional questions which are treated in detail in the book: the influence of density of states singularities on electron properties; many-electron description of strong itinerant magnetism; mechanisms of magnetic anisotropy; microscopic theory of anomalous transport phenomena in ferromagnets. Besides considering classical problems of solid state physics as applied to transition metals, modern developments in the theory of correlation effects in d- and f-compounds are considered within many-electron models. The book contains, where possible, a simple physical discussion. More difficult questions are considered in Appendices.
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Electronic Structure of Clusters

Direct Variational X-I Method

Author: N.A

Publisher: Academic Press

ISBN: 9780080582542

Category: Science

Page: 481

View: 8867

Advances in Quantum Chemistry publishes surveys of current developments in the rapidly developing field of quantum chemistry--a field that falls between the historically established areas of mathematics, physics, chemistry, and biology. With invited reviews written by leading international researchers, each presenting new results, this quality serial provides a single vehicle for following progress in this interdisciplinary area.
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Electronic Structure

Author: N.A

Publisher: Elsevier

ISBN: 0080530753

Category: Technology & Engineering

Page: 1072

View: 4458

This book is the second volume in the Handbook of Surface Science series and deals with aspects of the electronic structure of surfaces as investigated by means of the experimental and theoretical methods of physics. The importance of understanding surface phenomena stems from the fact that for many physical and chemical phenomena, the surface plays a key role: in electronic, magnetic, and optical devices, in heterogenous catalysis, in epitaxial growth, and the application of protective coatings, for example. Therefore a better understanding and, ultimately, a predictive description of surface and interface properties is vital for the progress of modern technology. An investigation of surface electronic structure is also central to our understanding of all aspects of surfaces from a fundamental point of view. The chapters presented here review the goals achieved in the field and map out the challenges ahead, both in experiment and theory.
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Advanced Theories and Computational Approaches to the Electronic Structure of Molecules

Author: C.E. Dykstra

Publisher: Springer Science & Business Media

ISBN: 9789027718105

Category: Science

Page: 248

View: 6723

That there have been remarkable advances in the field of molecular electronic structure during the last decade is clear not only to those working in the field but also to anyone else who has used quantum chemical results to guide their own investiga tions. The progress in calculating the electronic structures of molecules has occurred through the truly ingenious theoretical and methodological developments that have made computationally tractable the underlying physics of electron distributions around a collection of nuclei. At the same time there has been consider able benefit from the great advances in computer technology. The growing sophistication, declining costs and increasing accessibi lity of computers have let theorists apply their methods to prob lems in virtually all areas of molecular science. Consequently, each year witnesses calculations on larger molecules than in the year before and calculations with greater accuracy and more com plete information on molecular properties. We can surely anticipate continued methodological develop ments of real consequence, and we can also see that the advance in computational capability is not about to slow down. The recent introduction of array processors, mUltiple processors and vector machines has yielded a tremendous acceleration of many types of computation, including operations typically performed in quantum chemical studies. Utilizing such new computing power to the ut most has required some new ideas and some reformulations of existing methods.
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Electronic Structure and Physical Properties of Solids

The Uses of the LMTO Method

Author: Hugues Dreysse

Publisher: Springer Science & Business Media

ISBN: 3540672389

Category: Science

Page: 460

View: 947

A very comprehensive book, enabling the reader to understand the basic formalisms used in electronic structure determination and particularly the "Muffin Tin Orbitals" methods. The latest developments are presented, providing a very detailed description of the "Full Potential" schemes. This book will provide a real state of the art, since almost all of the contributions on formalism have not been, and will not be, published elsewhere. This book will become a standard reference volume. Moreover, applications in very active fields of today's research on magnetism are presented. A wide spectrum of such questions is covered by this book. For instance, the paper on interlayer exchange coupling should become a "classic", since there has been fantastic experimental activity for 10 years and this can be considered to be the "final" theoretical answer to this question. This work has never been presented in such a complete form.
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Orbital Approach to the Electronic Structure of Solids

Author: Enric Canadell,Marie-Liesse Doublet,Christophe Iung

Publisher: Oxford University Press

ISBN: 0199534934

Category: Science

Page: 350

View: 9514

This book is aiming at filling the gap between the different languages of the physics and chemistry communities to understand the electronic structure of solids. How structure and properties of solids are related is illustrated by considering in detail a large number of real examples.
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Strong Coulomb Correlations in Electronic Structure Calculations

Author: Vladimir I Anisimov

Publisher: CRC Press

ISBN: 9789056991319

Category: Science

Page: 332

View: 4294

Materials where electrons show nearly localized rather than itinerant behaviour, such as the high-temperature superconducting copper oxides, or manganate oxides, are attracting interest due to their physical properties and potential applications. For these materials, the interaction between electrons, or electron correlation, plays an important role in describing their electronic strucuture, and the standard methods for the calculation of their electronic spectra based on the local density approximation (LDA) breakdown. This is the first attempt to describe recent approaches that go beyond the concept of the LDA, to successfully describe the electronic structure of narrow-band materials.
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Modern Electronic Structure Theory

Author: David Yarkony

Publisher: World Scientific

ISBN: 9789810229887

Category: Science

Page: 1462

View: 8107

Modern Electronic Structure Theory provides a didactically oriented description of the latest computational techniques in electronic structure theory and their impact in several areas of chemistry. The book is aimed at first year graduate students or college seniors considering graduate study in computational chemistry, or researchers who wish to acquire a wider knowledge of this field.
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Electronic Structure of Solids b

Author: A. Goldmann,T. Ishii,R. Manzke,J. Naegele,M. Skibowski

Publisher: Springer

ISBN: 9783540537052

Category: Science

Page: 327

View: 6546

The collection of tables and diagrams given in this volume is a contribution to a larger programme aiming at a critical, and as comprehensive as possible, tabulation of electronic structure information obtained by electron and photon spectroscopy. No such collection of photoelectron spectra and related data exists at present, and the editors hope to fill a need of both experimentalists and theoreticians in various fields of solid state research. Besides the photoelectron results, also a limited set of other data (like lattice constants and work functions) useful in the context of band structure information are offered.
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Electronic Structure and Properties

Treatise on Materials Science and Technology

Author: Frank Y. Fradin

Publisher: Elsevier

ISBN: 1483218279

Category: Technology & Engineering

Page: 460

View: 9798

Treatise on Materials Science and Technology, Volume 21: Electronic Structure and Properties covers the developments in electron theory and electron spectroscopies. The book discusses the electronic structure of perfect and defective solids; the photoelectron spectroscopy as an electronic structure probe; and the electron-phonon interaction. The text describes the elastic properties of transition metals; the electrical resistivity of metals; as well as the electronic structure of point defects in metals. Metallurgists, materials scientists, materials engineers, and students involved in the related fields will find the book useful.
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Electronic Structure and Electronic Transitions in Layered Materials

Author: V. Grasso

Publisher: Springer Science & Business Media

ISBN: 9400945426

Category: Science

Page: 517

View: 5611

This new volume in the series Physics and Chemistry of Materials with Layered Structures satisfies the need for a comprehensive review of the progress made in the decade 1972-1982 in the field of the electronic properties of layer compounds. Some recent theoretical and experimental developments are highlighted by authori tative physicists active in current research. The previous books of this series covering similar topics are volumes 3 and 4. The present review is mainly intended to fulfill the gap up to 1982 and part of 1983. I am indebted to all the authors for their friendly co-operation and continuous effort in preparing the contributions in their own fields of competence. I am sure that both the expertise scientists and the beginners in the field of the electronic properties of layered materials will find this book a valuable tool for their research work. Warm thanks are due to Prof. E. Mooser, General Editor of the series, for his constant and authoritative advice. * * * This book has been conceived as a tribute to Prof. Franco Bassani to whom the Italian tradition in the field of layer compounds, as well as in other fields of solid state physics, owes much. The authors of this review have all benefited at some time of their professional life from close cooperation with him. Istituto di Struttura della Materia, VINCENZO GRASSO Universitd di Messina IX V Grasso (ed.). Electronic Structure and Electronic Transitions in Layered Materials. ix.
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Electronic Structure Calculations for Solids and Molecules

Theory and Computational Methods

Author: Jorge Kohanoff

Publisher: Cambridge University Press

ISBN: 1139453483

Category: Science

Page: N.A

View: 3201

Electronic structure problems are studied in condensed matter physics and theoretical chemistry to provide important insights into the properties of matter. This 2006 graduate textbook describes the main theoretical approaches and computational techniques, from the simplest approximations to the most sophisticated methods. It starts with a detailed description of the various theoretical approaches to calculating the electronic structure of solids and molecules, including density-functional theory and chemical methods based on Hartree-Fock theory. The basic approximations are thoroughly discussed, and an in-depth overview of recent advances and alternative approaches in DFT is given. The second part discusses the different practical methods used to solve the electronic structure problem computationally, for both DFT and Hartree-Fock approaches. Adopting a unique and open approach, this textbook is aimed at graduate students in physics and chemistry, and is intended to improve communication between these communities. It also serves as a reference for researchers entering the field.
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